Cas no 181705-87-3 (Methyl 5-(3-fluorophenyl)nicotinate)

Methyl 5-(3-fluorophenyl)nicotinate structure
181705-87-3 structure
Product Name:Methyl 5-(3-fluorophenyl)nicotinate
CAS No:181705-87-3
MF:C13H10FNO2
MW:231.222406864166
CID:1031178
PubChem ID:11009792
Update Time:2025-04-20

Methyl 5-(3-fluorophenyl)nicotinate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-(3-fluorophenyl)nicotinate
    • Methyl 5-(3-fluorophenyl)nicotite
    • methyl 5-(3-fluorophenyl)pyridine-3-carboxylate
    • Methyl5-(3-fluorophenyl)nicotinate
    • AKOS004116408
    • 3-Pyridinecarboxylic acid, 5-(3-fluorophenyl)-, methyl ester
    • DTXSID80451778
    • 181705-87-3
    • J-522398
    • DB-265465
    • MDL: MFCD06802187
    • Inchi: 1S/C13H10FNO2/c1-17-13(16)11-5-10(7-15-8-11)9-3-2-4-12(14)6-9/h2-8H,1H3
    • InChI Key: GFPGQHOIZGKIAS-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C1C=NC=C(C(=O)OC)C=1

Computed Properties

  • Exact Mass: 231.06955672g/mol
  • Monoisotopic Mass: 231.06955672g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 39.2?2

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